4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline

C25H23FN4 — CID 4110916

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(N3CCN(c4ccccc4F)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23FN4/c1-18-10-12-19(13-11-18)24-27-22-8-4-2-6-20(22)25(28-24)30-16-14-29(15-17-30)23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3
InChIKeyQEMCJGGOCFMTDB-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.07
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline

4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline (PubChem CID 4110916) has the molecular formula C25H23FN4 and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
PubChem CID4110916
Molecular FormulaC25H23FN4
Molecular Weight398.49 g/mol
Exact Mass398.19
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2nc(N3CCN(c4ccccc4F)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C25H23FN4/c1-18-10-12-19(13-11-18)24-27-22-8-4-2-6-20(22)25(28-24)30-16-14-29(15-17-30)23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3
InChIKeyQEMCJGGOCFMTDB-UHFFFAOYSA-N
XLogP5.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline (CID 4110916) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline is Cc1ccc(-c2nc(N3CCN(c4ccccc4F)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline?
The InChIKey is QEMCJGGOCFMTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4/c1-18-10-12-19(13-11-18)24-27-22-8-4-2-6-20(22)25(28-24)30-16-14-29(15-17-30)23-9-5-3-7-21(23)26/h2-13H,14-17H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline?
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline has a molecular weight of 398.49 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline is sourced from PubChem (CID 4110916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).